SCHEMBL4700286

SCHEMBL4700286

COc1ccc(C#CC(=O)NC2CCN(c3nc(C)cs3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 2/20 0.46
HPGDS O60760 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
MAPT P10636 2/20 0.40
CCNE1 P24864 3/20 0.39
CDK2 P24941 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL971879 0.94 NAAA (0.46) NAAASMN1; SMN2RAB9AHRH3MAPT
SCHEMBL4701214 0.90 SMN1; SMN2 (0.44) NAAASMN1; SMN2RAB9AHRH3MAPT
SCHEMBL4705139 0.89 GRM5 (0.43) SMN1; SMN2RAB9AHPGDSMAPTALDH1A1
SCHEMBL4703152 0.88 SMN1; SMN2 (0.43) SMN1; SMN2RAB9AHRH3MAPTCCNE1
SCHEMBL4703857 0.88 DRD2 (0.49) SMN1; SMN2RAB9AHRH3HPGDNPC1
SCHEMBL4701765 0.85 EPHX2 (0.40) HRH3
SCHEMBL973427 0.84 NAAA (0.44) NAAASMN1; SMN2RAB9AHPGDSMAPT
SCHEMBL974804 0.84 SMN1; SMN2 (0.41) SMN1; SMN2RAB9AHRH3MAPTALDH1A1
SCHEMBL975606 0.83 MTNR1A (0.44) SMN1; SMN2RAB9AMAPTALDH1A1KDM4E
SCHEMBL4703465 0.83 HRH3 (0.42) SMN1; SMN2RAB9AHRH3MAPTALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318774-B2 N-(3-((thiazol-2-yl)amino)propyl)-3-phenylpropiolamide, 4-(thiazol-2-yl-amino)-1-(3-phenyl-propiolyl)piperidine, for example; for preventing or treating a disorder or disease that is mediated at least in part by mGluR26 receptors, such as pain, migraines, depression, neurodegenerative diseases GRUENENTHAL GMBH (DE) 2012-11-27 US claimed
US-20080269295-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2008-10-30 US claimed
US-8318774-B2 N-(3-((thiazol-2-yl)amino)propyl)-3-phenylpropiolamide, 4-(thiazol-2-yl-amino)-1-(3-phenyl-propiolyl)piperidine, for example; for preventing or treating a disorder or disease that is mediated at least in part by mGluR26 receptors, such as pain, migraines, depression, neurodegenerative diseases GRUENENTHAL GMBH (DE) 2012-11-27 US disclosed
US-20080269295-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2008-10-30 US disclosed
EP-1968958-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-09-17 EP disclosed
WO-2007079961-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-07-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080269295-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS TPMT, ABCB1, FDPS NAAA 2464/4885SMN1; SMN2 4547/4885RAB9A 3457/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.